KEGG   COMPOUND: C09490
Entry
C09490                      Compound                               
Name
Lactupicrin
Formula
C23H22O7
Exact mass
410.1366
Mol weight
410.4166
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Guaianolide
    C09490  Lactupicrin
Other DBs
CAS: 65725-11-3
PubChem: 11681
ChEBI: 6360
KNApSAcK: C00003312
3DMET: B03016
NIKKAJI: J1.583.455B
LinkDB
KCF data

ATOM        30
            1   O7a O    25.7727  -15.9517
            2   C7a C    26.9800  -15.2547
            3   C1b C    28.1873  -15.9517
            4   C8y C    29.3945  -15.2547
            5   C8x C    30.5935  -15.9507
            6   C8x C    31.8008  -15.2536
            7   C8y C    31.8008  -13.8596
            8   C8x C    30.5935  -13.1626
            9   C8x C    29.3862  -13.8596
            10  O1a O    33.0079  -13.1626
            11  O6a O    26.9800  -13.8606
            12  C1y C    22.1860  -16.1318
            13  C1y C    21.3266  -15.0962
            14  C1y C    23.5839  -16.0978
            15  O7x O    21.7186  -17.4521
            16  C2y C    21.6694  -13.6721
            17  C2y C    19.9285  -15.1164
            18  C1y C    24.4727  -15.0867
            19  C2y C    23.9826  -17.5123
            20  C7x C    22.8303  -18.3054
            21  C2y C    22.9477  -13.0890
            22  C5x C    20.4866  -12.9252
            23  C2x C    19.4182  -13.8236
            24  C1b C    19.1849  -16.2943
            25  C1x C    24.1952  -13.7179
            26  C2a C    25.2932  -17.9732
            27  O6a O    22.7928  -19.6952
            28  C1a C    22.9675  -11.6944
            29  O5x O    20.5379  -11.5356
            30  O1a O    17.7953  -16.2359
BOND        33
            1     1   2 1
            2     2  11 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9   4 1
            10    2   3 1
            11    7  10 1
            12   12  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 2
            21   16  22 1
            22   17  23 2
            23   17  24 1
            24   18  25 1
            25   18   1 1 #Down
            26   19  26 2
            27   20  27 2
            28   21  28 1
            29   22  29 2
            30   24  30 1
            31   19  20 1
            32   21  25 1
            33   22  23 1

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